# Kinetics of gases and chemical reactions

Course Code : | 1001WETKGR |

Study domain: | Chemistry |

Academic year: | 2017-2018 |

Semester: | 2nd semester |

Sequentiality: | Minimum 8/20 for "Fundamentals of Chemistry I", "Fundamentals of Chemistry II, incl. practical", "Physics I". |

Contact hours: | 30 |

Credits: | 3 |

Study load (hours): | 84 |

Contract restrictions: | No contract restriction |

Language of instruction: | Dutch |

Exam period: | exam in the 2nd semester |

Lecturer(s) | Annemie Bogaerts |

### 1. Prerequisites *

an active knowledge of

- Dutch

- Dutch

- general knowledge of the use of a PC and the Internet

specific prerequisites for this course

The students need basic knowledge of mathematics (derivations and integrals) and physics, such as taught in bachelor 1.

### 2. Learning outcomes *

- You can analyse the difference between ideal and real gases, and you can explain how ideal and real gases can be described.
- You can make the link between macroscopic properties of gases (pressure, temperature, as well as transport properties like viscosity, heat conductivity and diffusion) and microscopic properties of the molecules (velocity, energy, radius) by means of kinetic gas theory.
- You can derive the Maxwell velocity distribution, and calculate the mean and most probable velocity from this.
- You can derive the Boltzmann energy distribution from the Maxwell velocity distribution, and calculate the mean and most probable energy from this.
- You can calculate the number of collisions between molecules in a gas, as well as the number of collisions with a wall, based on the principles of the kinetic gas model, and you can also apply these calculations when solving simple scientific problems.
- You can explain the basic principles of chemical reaction kinetics, like the reaction rate law, reaction order, and the temperature dependence of the rate constant.
- You can derive how the concentration of reactants and products evolve as a function of time, based on the reaction rate law, and you can apply this when solving simple scientific problems.
- You can apply the rate limiting step approximation and the steady state approximation to derive the reaction rate law of a reaction, based on the reaction mechanism: in general as well as for specific complex reactions, like chain reactions and explosions.
- You can explain the basic principles of comples reactions, like chain reactions, explosions, polymerization reactions, catalysis, oscillating reactions and photochemical reactions.
- You can analyse the physical meaning of the rate constant, on different levels of sophistication, i.e., based on collision theory between molecules in the gas phase (like taught in the part "kinetic gas theory), as well as for molecules in solution, based on statistical thermodynamics and molecular reaction dynamics.

### 3. Course contents *

This course consists of two parts. In the first part ("kinetic gas theory"), we try to make quantitative links between the macroscopic properties of gases on one hand, and the microscopic properties of molecules/atoms on the other hand. This will be done, based on the model of kinetic gas theory. We study (among others) the molecular motion of gases, the Maxwell velocity- and energy distribution, collisions between molecules and with the wall, transport properties in gases (diffusion, viscosity and heat conduction). We also discuss the difference between ideal and real gases.

In the second part ("chemical reaction kinetics"), we treat first the basic concepts: definition of reaction rate, rate constants and reaction order, rate equations for different kind of reactions (first and second order, reaction near equilibrium...), the Arrhenius equation, elementary reactions, the steady-state approximation,... Next, these basic principles will be used to describe more complex reactions, such as chain reactions, polymerization, catalysis, oscillating reactions and photochemistry. Finally, we discuss the meaning of the rate constants, and we try to make a link with properties of the reacting molecules, using the collision theory (for gas phase reactions), the diffusion equation (for reactions in solution), the activated complex theory (Eyring equation and thermodynamic approximation), and molecular reaction dynamics.

Beside the theoretical basis, a lot of attention is paid to applications of the theory, by numerical examples and solving simple scientific problems (by portfolio).

This course contributes to realizing the following general aims of the Bachelor education Chemistry: B1, B2, B6.

### 4 International dimension*

### 5. Teaching method and planned learning activities

Personal work

Portfolio

### 6. Assessment method and criteria

Continuous assessment

### 7. Study material *

#### 7.1 Required reading

A course in Dutch is available. For non-Flemish students, the course is largely based on the following handbook:

Atkins' Physical Chemistry 7th ed, P. Atkins and J. de Paula, Oxford University Press, Oxford (2002).

**7.2 Optional reading**

The following study material can be studied voluntarily :The course is largely based on the following handbook:

Atkins' Physical Chemistry 7th ed, P. Atkins and J. de Paula, Oxford University Press, Oxford (2002). This book is available in the library in various editions (most recent: 2014).

### 8. Contact information *

Prof. Dr. Annemie Bogaerts

Departement Chemie, Onderzoeksgroep PLASMANT

Universiteit Antwerpen ( )

Universiteitsplein 1, 2610 Wilrijk.

Tel: +32 3 820 23 77

Fax: +32 3 820 23 76

E-mail: annemie.bogaerts@uantwerpen.be

Website: http://www.uantwerpen.be/plasmant/